3-[[4-[(E)-2-nitro-1-pyrrolidin-1-yl-ethenyl]piperazin-1-yl]methyl]-2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide

Systemtic Name: 3-[[4-[(E)-2-nitro-1-pyrrolidin-1-yl-ethenyl]piperazin-1-yl]methyl]-2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide Openeye Name: 3-[[4-[(E)-2-nitro-1-pyrrolidin-1-yl-vinyl]piperazin-1-yl]methyl]-2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide CAS Name: 3-[[4-[(E)-2-nitro-1-(1-pyrrolidinyl)ethenyl]-1-piperazinyl]methyl]-2-phenyl-N-[(1S)-1-phenylethyl]-4-quinolinecarboxamide IUPAC Name: 3-[[4-[(E)-2-nitro-1-pyrrolidin-1-ylethenyl]piperazin-1-yl]methyl]-2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide Traditional Name: 3-[[4-[(E)-2-nitro-1-pyrrolidino-vinyl]piperazino]methyl]-2-phenyl-N-[(1S)-1-phenylethyl]cinchoninamide Formula: C35H38N6O3 MolecularWeight: 590.71462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)C(=C[N+](=O)[O-])N6CCCC6

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)/C(=C/[N+](=O)[O-])/N6CCCC6

InChI

InChI=1S/C35H38N6O3/c1-26(27-12-4-2-5-13-27)36-35(42)33-29-16-8-9-17-31(29)37-34(28-14-6-3-7-15-28)30(33)24-38-20-22-40(23-21-38)32(25-41(43)44)39-18-10-11-19-39/h2-9,12-17,25-26H,10-11,18-24H2,1H3,(H,36,42)/b32-25+/t26-/m0/s1